Geometry & MOs

Info

ID:	188828
PubChem CID:	77771310
Reduced:	FNO2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	517.189609
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	1.52
IP(EA), eV:	-8.18(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamimidoylanilino)-3-(3-methylimidazol-4-yl)-N-[4-(2-sulfamoylphenyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CNC(C1CCC2=C(O1)C(=CC=C2)OC)C3=CC=CC(=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations